NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1209 7.8833 121.0455 60.7432 40.0714 174.1992 2 R 4.3388 8.2117 127.7890 55.1725 30.8427 173.6287 3 C 5.2354 9.2754 122.0366 54.5516 45.2601 173.2093 4 F 4.5434 8.4902 119.7811 58.1250 38.3826 175.1021 5 I 4.4103 8.2922 125.3830 60.1841 39.3975 175.3436 6 T 4.7863 8.2813 120.8007 61.5257 70.6575 172.3324 7 P 4.6874 0.0000 0.0000 62.9863 31.7191 175.7186 8 D 4.6713 7.1870 117.9985 54.3739 41.5396 177.1005 9 I 3.7333 8.2086 122.2007 63.5969 37.5713 176.0220 10 T 4.7480 7.6392 114.8753 60.3981 70.0618 173.0933 11 S 4.5914 8.3080 118.5140 57.1231 64.6682 173.4997 12 K 4.6103 8.2663 120.3108 54.8068 37.0710 175.1493 13 D 4.6795 8.6466 121.8776 53.7338 41.4188 176.6320 14 C 4.7396 8.1068 123.9489 54.2875 40.6860 172.4366 15 P 4.0377 0.0000 0.0000 64.6167 31.4289 178.1950 16 N 3.9652 7.8999 120.4041 54.6666 34.3395 173.4578 17 G 3.7908 7.8665 108.1690 44.9430 0.0000 171.6422 18 H 4.5417 8.4042 123.4407 57.1806 29.3002 176.2829 19 V 4.7726 7.9738 111.7767 59.7279 36.0973 173.7381 20 C 5.2318 8.8526 121.9244 55.9693 41.2822 172.4221 21 Y 5.3247 8.6660 121.4037 55.7807 41.3831 174.8227 22 T 4.9206 8.6284 116.9024 61.4584 70.1470 172.6638 23 K 4.6905 8.8866 124.8402 56.6842 34.0232 176.1385 24 T 5.1686 9.1575 114.3096 60.3955 72.2076 172.6646 25 W 5.5144 8.7728 122.4738 55.0402 32.2551 172.7617 26 C 4.8236 9.0178 122.3285 55.5615 43.6914 172.4578 27 D 4.9857 8.5286 128.7121 53.1364 39.9202 176.6658 28 A 4.2862 8.7401 118.4684 54.9356 18.1393 178.8888 29 F 4.5722 8.6238 114.9341 58.9488 39.0264 175.6005 30 C 5.4916 7.9852 120.4209 56.7064 44.9855 175.9672 31 S 3.9114 7.9420 114.2820 60.9797 62.0409 174.6338 32 I 3.8890 6.9047 121.0784 62.3850 37.4358 176.4638 33 R 4.0360 7.2456 122.1020 55.7011 31.1208 175.4841 34 G 3.6385 7.7350 103.9306 43.3164 0.0000 173.1895 35 K 4.2242 8.1742 117.8631 56.3776 32.7777 177.5677 36 R 3.8925 7.9953 123.8230 56.2410 31.3588 175.6698 37 V 4.9945 7.8845 116.6991 58.5314 35.3301 174.1889 38 D 4.9114 9.0589 125.3964 52.7139 42.8700 175.5934 39 L 4.7938 8.7467 126.0546 53.4017 43.7851 176.4256 40 G 3.7357 6.3452 104.1570 46.6633 0.0000 168.6619 41 C 5.6251 7.8670 113.2265 53.9067 39.6039 172.5638 42 A 4.5815 8.4239 119.4200 51.4752 22.6467 177.7571 43 A 3.9407 8.8501 121.8077 55.0711 18.5763 177.8284 44 T 4.8123 7.4109 102.1102 59.3902 72.1714 173.8808 45 C 4.3419 8.6486 122.2496 55.9031 44.0059 171.5867 46 P 4.4863 0.0000 0.0000 62.2015 31.8680 176.0196 47 T 3.9397 8.0512 115.2903 63.5078 68.8631 174.3862 48 V 4.2134 7.9265 123.6287 60.7843 32.6254 175.8728 49 K 4.1015 8.2326 126.7810 56.1150 32.6846 176.3205 50 T 4.0666 8.1852 116.6256 63.7319 67.5014 172.7234 51 G 4.1791 9.1593 117.1396 45.4539 0.0000 173.7963 52 V 3.7857 6.8415 116.9794 63.5637 32.3225 175.1655 53 D 5.0065 9.0487 126.1449 52.5024 43.7263 174.4443 54 I 5.0089 8.3530 125.0704 59.6901 41.5520 175.0384 55 Q 4.3926 8.3613 126.2662 55.9183 31.1219 172.8335 56 C 5.2358 8.6447 124.2780 56.4402 37.5936 171.4584 57 C 5.0015 8.1875 114.3377 55.6008 45.0031 174.4029 58 S 4.5416 8.6008 109.1296 58.1724 63.9410 173.6656 59 T 4.1646 7.8553 117.8275 62.7467 69.0065 173.4229 60 D 4.1922 8.7759 125.8871 55.5545 40.7775 175.3196 61 N 4.0246 8.5895 123.8771 53.5327 35.4045 171.8280 62 C 5.1162 8.4251 110.7626 54.7278 43.1320 174.7841 63 N 5.0707 8.2099 117.4233 52.0099 37.4532 172.8172 64 P 3.5730 0.0000 0.0000 62.6984 32.1463 174.8658 65 F 4.5631 8.0215 120.7447 57.8194 39.5765 173.4166 66 P 4.6498 0.0000 0.0000 62.1058 33.0872 176.4626 67 T 4.3573 7.7759 108.5576 59.7059 68.3535 174.6336 68 R 4.1223 7.6554 126.6092 57.4921 30.1731 175.5547 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 I 7.88 4.12 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.26 0.94 0.00 0.00 2 R 8.21 4.34 0.00 1.90 1.86 0.00 3.02 0.00 0.00 3.16 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 3 C 9.28 5.24 0.00 2.74 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 F 8.49 4.54 0.00 2.96 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.29 4.41 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.84 0.89 0.00 0.00 6 T 8.28 4.79 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 7 P 0.00 4.69 0.00 2.14 2.11 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 8 D 7.19 4.67 0.00 2.70 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.21 3.73 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.30 0.89 0.00 0.00 10 T 7.64 4.75 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 11 S 8.31 4.59 0.00 3.48 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.27 4.61 0.00 1.54 1.63 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.29 1.47 7.81 13 D 8.65 4.68 0.00 2.63 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 C 8.11 4.74 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.04 0.00 2.15 1.98 0.00 3.57 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 16 N 7.90 3.97 0.00 2.71 2.84 0.00 0.00 7.13 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.87 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.40 4.54 0.00 3.14 3.38 0.00 5.60 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.97 4.77 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.13 0.00 0.00 20 C 8.85 5.23 0.00 2.96 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 8.67 5.32 0.00 2.96 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.63 4.92 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 23 K 8.89 4.69 0.00 2.30 2.08 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.48 1.57 7.81 24 T 9.16 5.17 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 25 W 8.77 5.51 0.00 3.43 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 C 9.02 4.82 0.00 3.05 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.53 4.99 0.00 3.02 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.74 4.29 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.62 4.57 0.00 3.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 C 7.99 5.49 0.00 3.22 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.94 3.91 0.00 3.87 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 6.90 3.89 1.57 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.36 0.77 0.00 0.00 33 R 7.25 4.04 0.00 1.67 1.86 0.00 2.24 0.00 0.00 3.06 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.27 0.00 34 G 7.73 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.17 4.22 0.00 1.56 1.75 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.41 7.81 36 R 8.00 3.89 0.00 0.87 0.66 0.00 3.01 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.38 0.00 37 V 7.88 4.99 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.04 0.00 0.00 38 D 9.06 4.91 0.00 2.98 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.75 4.79 0.00 1.57 1.67 0.74 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 40 G 6.35 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 C 7.87 5.63 0.00 3.01 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.42 4.58 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.85 3.94 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.41 4.81 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 45 C 8.65 4.34 0.00 2.98 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.49 0.00 1.99 1.72 0.00 3.76 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.25 0.00 47 T 8.05 3.94 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 48 V 7.93 4.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.91 0.00 0.00 49 K 8.23 4.10 0.00 1.74 1.61 0.00 1.54 0.00 0.00 1.50 0.00 0.00 2.62 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.43 1.32 7.81 50 T 8.19 4.07 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 51 G 9.16 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 6.84 3.79 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.81 0.00 0.00 53 D 9.05 5.01 0.00 2.94 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.35 5.01 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.98 0.94 0.00 0.00 55 Q 8.36 4.39 0.00 2.32 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 56 C 8.64 5.24 0.00 2.94 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 C 8.19 5.00 0.00 2.94 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.60 4.54 0.00 3.95 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.86 4.16 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 60 D 8.78 4.19 0.00 2.62 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.59 4.02 0.00 2.74 2.73 0.00 0.00 6.82 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 C 8.43 5.12 0.00 3.08 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 N 8.21 5.07 0.00 2.88 2.96 0.00 0.00 6.14 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 3.57 0.00 1.95 1.74 0.00 3.93 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 65 F 8.02 4.56 0.00 2.68 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.65 0.00 2.10 2.02 0.00 3.72 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00 67 T 7.78 4.36 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 68 R 7.66 4.12 0.00 1.81 1.66 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.18 0.00